5-(3-methylbutyl)-1-(8-methylnonyl)triazole

C17H33N3 — CID 59827215

IUPAC5-(3-methylbutyl)-1-(8-methylnonyl)triazole
SMILESCC(C)CCCCCCCn1nncc1CCC(C)C
InChIInChI=1S/C17H33N3/c1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4/h14-16H,5-13H2,1-4H3
InChIKeyGQHWWVPGDUQKHQ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.86
Rot. Bonds11

About 5-(3-methylbutyl)-1-(8-methylnonyl)triazole

5-(3-methylbutyl)-1-(8-methylnonyl)triazole (PubChem CID 59827215) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-(3-methylbutyl)-1-(8-methylnonyl)triazole.

Molecular Properties

Compound Name5-(3-methylbutyl)-1-(8-methylnonyl)triazole
PubChem CID59827215
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-(3-methylbutyl)-1-(8-methylnonyl)triazole
SMILESCC(C)CCCCCCCn1nncc1CCC(C)C
InChIInChI=1S/C17H33N3/c1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4/h14-16H,5-13H2,1-4H3
InChIKeyGQHWWVPGDUQKHQ-UHFFFAOYSA-N
XLogP4.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(9-methyldecyl)-5-(4-methylpentyl)triazole
CID 121260609
1-(7-methyloctyl)-5-(4-methylpentyl)triazole
CID 59827225
5-butyl-1-(7-methyloctyl)triazole
CID 69281455
5-hexyl-1-(6-methylheptyl)triazole
CID 126566666
bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 158745845
4-[5-(3-methylbutyl)triazol-1-yl]butane-1-thiol
CID 139426893
4-[5-(6-methylheptyl)triazol-1-yl]butane-1-thiol
CID 130380781
1,5-bis(3-methylbutyl)triazole
CID 122630242
methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
CID 160506972
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159157538
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159044207
1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)
CID 158830017

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-1-(8-methylnonyl)triazole?
The IUPAC name of 5-(3-methylbutyl)-1-(8-methylnonyl)triazole (CID 59827215) is 5-(3-methylbutyl)-1-(8-methylnonyl)triazole.
What is the SMILES notation for 5-(3-methylbutyl)-1-(8-methylnonyl)triazole?
The canonical SMILES for 5-(3-methylbutyl)-1-(8-methylnonyl)triazole is CC(C)CCCCCCCn1nncc1CCC(C)C.
What is the InChIKey of 5-(3-methylbutyl)-1-(8-methylnonyl)triazole?
The InChIKey is GQHWWVPGDUQKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 5-(3-methylbutyl)-1-(8-methylnonyl)triazole?
5-(3-methylbutyl)-1-(8-methylnonyl)triazole has a molecular weight of 279.47 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-1-(8-methylnonyl)triazole is sourced from PubChem (CID 59827215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).